Geometry & MOs

Info

ID:	380503
PubChem CID:	134970967
Reduced:	N2C11H12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	280.00989
ΔH_f, kcal/mol:	86.19
Dipole, Da:	3.15
IP(EA), eV:	-7.98(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromophenyl)-6-methyl-3-methylideneoxan-2-one

Drug info:

PubChemData

Smile

CN1C[C@@H](N(C[C@@H]1C2=CNC3=CC=CC=C32)C)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations